3-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(4-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(4-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]coumarin Formula: C21H16FN3O3S MolecularWeight: 409.433443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3S2)F)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3S2)F)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C21H16FN3O3S/c22-15-5-3-7-17-18(15)23-21(29-17)25-10-8-24(9-11-25)19(26)14-12-13-4-1-2-6-16(13)28-20(14)27/h1-7,12H,8-11H2